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GLASS

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GPCR

Name	Neurotensin receptor type 1
Species	Homo sapiens (Human)
Gene	NTSR1
Synonym	NTSR1 NTS1 receptor NTRH NTR1 NTR NT-R-1 NT-1R neurotensin receptor type 1 neurotensin receptor 1 (high affinity) Levocabastin-insensitive neurotensin receptor High-affinity levocabastine-insensitive neurotensin receptor [ Show all ]
Disease	Acute or chronic pain Alcohol use disorders Pain Inflammatory bowel disease Neurological disease
Length	418
Amino acid sequence	MRLNSSAPGTPGTPAADPFQRAQAGLEEALLAPGFGNASGNASERVLAAPSSELDVNTDIYSKVLVTAVYLALFVVGTVGNTVTAFTLARKKSLQSLQSTVHYHLGSLALSDLLTLLLAMPVELYNFIWVHHPWAFGDAGCRGYYFLRDACTYATALNVASLSVERYLAICHPFKAKTLMSRSRTKKFISAIWLASALLAVPMLFTMGEQNRSADGQHAGGLVCTPTIHTATVKVVIQVNTFMSFIFPMVVISVLNTIIANKLTVMVRQAAEQGQVCTVGGEHSTFSMAIEPGRVQALRHGVRVLRAVVIAFVVCWLPYHVRRLMFCYISDEQWTPFLYDFYHYFYMVTNALFYVSSTINPILYNLVSANFRHIFLATLACLCPVWRRRRKRPAFSRKADSVSSNHTLSSNATRETLY
UniProt	P30989
Protein Data Bank	N/A
GPCR-HGmod model	P30989
3D structure model	This predicted structure model is from GPCR-EXP P30989.
BioLiP	N/A
Therapeutic Target Database	T02728
ChEMBL	CHEMBL4123
IUPHAR	309
DrugBank	N/A

Ligand

Name	CHEMBL343970
Molecular formula	C33H53N9O7
IUPAC name	(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-1-[(2S)-5-(2-aminoethylamino)-2-azidopentanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid
Molecular weight	687.843
Hydrogen bond acceptor	11
Hydrogen bond donor	7
XlogP	1.2
Synonyms	(S)-2-{(2S,3S)-2-[(S)-2-({(S)-1-[(S)-5-(2-Amino-ethylamino)-2-azido-pentanoyl]-pyrrolidine-2-carbonyl}-amino)-3-(4-hydroxy-phenyl)-propionylamino]-3-methyl-pentanoylamino}-4-methyl-pentanoic acid BDBM50086641 1-[(S)-2-Azido-5-(2-aminoethylamino)pentanoyl]-L-Pro-L-Tyr-L-Ile-L-Leu-OH
Inchi Key	DGOTZRGOUQWEBW-NICUNNCGSA-N
Inchi ID	InChI=1S/C33H53N9O7/c1-5-21(4)28(31(46)38-26(33(48)49)18-20(2)3)39-29(44)25(19-22-10-12-23(43)13-11-22)37-30(45)27-9-7-17-42(27)32(47)24(40-41-35)8-6-15-36-16-14-34/h10-13,20-21,24-28,36,43H,5-9,14-19,34H2,1-4H3,(H,37,45)(H,38,46)(H,39,44)(H,48,49)/t21-,24-,25-,26-,27-,28-/m0/s1
PubChem CID	44360189
ChEMBL	CHEMBL343970
IUPHAR	N/A
BindingDB	50086641
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 5 hydrogen bond donor. This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
IC50	14.7 nM	PMID10743946	ChEMBL
IC50	15.0 nM	PMID10743946	BindingDB

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